SCHEMBL8549374

SCHEMBL8549374

COc1ccc(OCc2cccc(C#N)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
FFAR4 Q5NUL3 1/20 0.60
MAOB P27338 8/20 0.57
MRGPRX4 Q96LA9 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MAOA P21397 2/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
VNN1 O95497 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4029474 0.88 NPC1 (0.57) FFAR1FFAR4MAOBRAB9ANPC1
SCHEMBL13232461 0.87 GRM5 (0.62) FFAR1FFAR4MAOBMRGPRX4MAOA
SCHEMBL14163905 0.86 FFAR1 (0.63) FFAR1FFAR4MAOBMRGPRX4MAOA
SCHEMBL1248693 0.85 MAOB (0.66) FFAR1FFAR4MAOBMRGPRX4MAOA
SCHEMBL22874523 0.84 MAOB (0.62) FFAR1FFAR4MAOBMRGPRX4RAB9A
SCHEMBL18641315 0.84 LTA4H (0.58) FFAR1FFAR4MAOBSMN1; SMN2MAOA
SCHEMBL2015368 0.84 FFAR1 (0.60) FFAR1FFAR4MAOBMRGPRX4MAOA
SCHEMBL13439790 0.83 FFAR1 (0.56) FFAR1FFAR4MAOBMRGPRX4MAOA
SCHEMBL21340514 0.83 FFAR1 (0.56) FFAR1FFAR4MAOBMRGPRX4MAOA
SCHEMBL17217589 0.83 MEN1 (0.46) FFAR1FFAR4MAOBMRGPRX4RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 US disclosed
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287751-A1 Opioid Receptor Antagonists OPRK1, OPRM1, OPRD1 FFAR1 56/4885FFAR4 167/4885MAOB 1104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.